#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qa9 s SER 2 N 0.00 7.37 -0.10 4.04 0.15 -1.25 -4.21 113.70 119.70 1qa9 s SER 2 Ca 0.00 1.63 0.01 0.00 0.70 0.00 0.00 55.95 58.29 1qa9 s SER 2 Cb 0.00 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 1qa9 s SER 2 CO 0.00 0.04 -0.13 -1.58 1.20 0.00 0.00 173.24 172.77 1qa9 s GLN 3 N -0.34 3.03 -0.40 5.44 0.74 -0.99 -4.98 119.66 122.16 1qa9 s GLN 3 Ca 0.41 -0.67 -0.23 0.00 0.05 0.00 0.00 55.36 54.91 1qa9 s GLN 3 Cb -0.22 -2.54 0.02 0.00 1.10 0.00 0.00 33.01 31.36 1qa9 s GLN 3 CO 0.26 0.40 0.80 -0.65 -0.55 0.00 0.00 175.29 175.55 1qa9 s GLN 4 N -0.12 3.61 -0.26 1.67 -0.21 -1.26 -1.01 119.66 122.07 1qa9 s GLN 4 Ca -0.01 0.15 -0.08 0.00 0.02 0.00 0.00 55.36 55.44 1qa9 s GLN 4 Cb -0.14 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 29.98 1qa9 s GLN 4 CO 0.03 -0.99 0.10 0.42 -2.12 0.00 0.00 175.29 172.74 1qa9 s ILE 5 N 3.24 4.48 -0.13 1.08 -1.09 0.24 -4.96 121.20 124.06 1qa9 s ILE 5 Ca 0.31 -0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.46 1qa9 s ILE 5 Cb -0.12 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 1qa9 s ILE 5 CO 0.20 0.29 0.23 -0.31 -1.23 0.00 0.00 174.94 174.12 1qa9 s TYR 6 N 1.63 3.54 0.00 3.97 1.51 -1.26 0.09 117.35 126.83 1qa9 s TYR 6 Ca 0.06 0.59 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 1qa9 s TYR 6 Cb -0.15 -2.17 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 1qa9 s TYR 6 CO 0.05 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.38 1qa9 n GLY 7 N 2.70 4.50 3.05 0.71 0.00 -0.62 -4.90 105.19 110.63 1qa9 n GLY 7 Ca -0.16 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 1qa9 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qa9 s VAL 8 N -1.33 -0.02 0.25 1.61 -7.23 -1.26 0.21 120.40 112.62 1qa9 s VAL 8 Ca 0.00 0.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.97 1qa9 s VAL 8 Cb 0.00 -0.32 -0.15 0.00 0.56 0.00 0.00 36.38 36.46 1qa9 s VAL 8 CO 0.00 0.03 0.79 1.17 -0.31 0.00 0.00 175.10 176.79 1qa9 n LYS 9 N 3.63 0.74 0.00 4.82 4.81 -0.60 -0.30 118.16 131.26 1qa9 n LYS 9 Ca -0.19 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1qa9 n LYS 9 Cb 0.55 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1qa9 n LYS 9 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1qa9 n TYR 10 N 0.13 0.00 -0.79 5.64 4.02 -0.43 -4.85 117.16 120.89 1qa9 n TYR 10 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1qa9 n TYR 10 Cb 0.29 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1qa9 n TYR 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qa9 n GLY 11 N -1.95 0.49 3.32 2.72 0.00 0.59 -4.27 105.19 106.09 1qa9 n GLY 11 Ca 0.00 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 1qa9 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qa9 s ASN 12 N -1.00 -0.31 0.42 1.61 2.20 -1.26 -0.05 114.94 116.55 1qa9 s ASN 12 Ca 0.00 0.21 0.04 0.00 -0.94 0.00 0.00 52.86 52.17 1qa9 s ASN 12 Cb 0.00 0.38 -0.04 0.00 -2.00 0.00 0.00 41.25 39.59 1qa9 s ASN 12 CO 0.00 -0.52 0.04 -0.69 -2.94 0.00 0.00 177.10 172.99 1qa9 s VAL 13 N -1.50 1.27 -0.12 3.54 1.01 -0.70 -4.90 120.40 119.00 1qa9 s VAL 13 Ca -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 59.82 1qa9 s VAL 13 Cb -0.03 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.85 1qa9 s VAL 13 CO 0.04 0.00 0.22 -0.89 0.00 0.00 0.00 175.10 174.47 1qa9 s THR 14 N -2.99 -0.35 -0.69 3.92 2.01 -1.26 -1.81 115.64 114.46 1qa9 s THR 14 Ca 0.24 0.26 -0.23 0.00 0.31 0.00 0.00 61.69 62.27 1qa9 s THR 14 Cb 0.06 -0.42 0.07 0.00 0.01 0.00 0.00 72.50 72.22 1qa9 s THR 14 CO 0.12 0.09 1.01 -0.36 -0.69 0.00 0.00 174.62 174.79 1qa9 s PHE 15 N 2.36 2.67 -0.22 4.92 0.08 0.32 -4.95 117.98 123.16 1qa9 s PHE 15 Ca 0.03 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.20 1qa9 s PHE 15 Cb -0.12 -4.33 -0.01 0.00 -0.57 0.00 0.00 43.02 37.99 1qa9 s PHE 15 CO -0.08 -1.68 1.30 -1.01 -0.10 0.00 0.00 175.22 173.66 1qa9 s HIS 16 N 4.10 2.73 -0.35 0.36 3.76 -1.26 -2.11 115.29 122.52 1qa9 s HIS 16 Ca 0.24 0.92 -0.13 0.00 -0.15 0.00 0.00 55.06 55.94 1qa9 s HIS 16 Cb -0.15 -3.70 -0.01 0.00 1.11 0.00 0.00 32.58 29.83 1qa9 s HIS 16 CO 0.09 -1.79 0.23 0.08 -0.85 0.00 0.00 174.74 172.49 1qa9 s VAL 17 N 3.96 5.13 -1.06 -0.90 1.01 -1.26 -5.00 120.40 122.27 1qa9 s VAL 17 Ca 0.56 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 1qa9 s VAL 17 Cb -0.20 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1qa9 s VAL 17 CO 0.19 -0.06 1.96 -2.16 0.00 0.00 0.00 175.10 175.04 1qa9 s PRO 18 N 1.69 2.41 0.07 2.72 0.04 -1.26 -4.78 135.00 135.90 1qa9 s PRO 18 Ca 0.05 -0.75 0.01 0.00 0.04 0.00 0.00 61.00 60.35 1qa9 s PRO 18 Cb -0.18 -5.15 0.01 0.00 0.04 0.00 0.00 34.50 29.22 1qa9 s PRO 18 CO 0.10 -3.86 0.05 -1.13 0.04 0.00 0.00 177.00 172.19 1qa9 n SER 19 N 14.67 1.38 0.20 6.66 3.41 -1.26 -5.07 113.62 133.61 1qa9 n SER 19 Ca 0.43 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1qa9 n SER 19 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1qa9 n SER 19 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qa9 n ASN 20 N -1.84 -2.71 -4.74 4.04 4.13 -1.26 -5.04 115.26 107.84 1qa9 n ASN 20 Ca -0.01 0.75 -0.41 0.00 1.68 0.00 0.00 54.58 56.59 1qa9 n ASN 20 Cb 0.09 2.61 -0.05 0.00 -1.54 0.00 0.00 39.78 40.89 1qa9 n ASN 20 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1qa9 s GLN 21 N -2.00 4.73 -1.11 3.52 0.74 -1.26 -4.95 119.66 119.33 1qa9 s GLN 21 Ca 0.00 1.54 -0.23 0.00 0.05 0.00 0.00 55.36 56.72 1qa9 s GLN 21 Cb 0.00 -3.31 -0.07 0.00 1.10 0.00 0.00 33.01 30.73 1qa9 s GLN 21 CO 0.00 0.29 1.93 -1.25 -0.55 0.00 0.00 175.29 175.71 1qa9 s PRO 22 N -0.57 2.57 -0.25 1.67 0.04 -1.26 -4.85 135.00 132.35 1qa9 s PRO 22 Ca 0.45 -0.95 -0.28 0.00 0.04 0.00 0.00 61.00 60.27 1qa9 s PRO 22 Cb -0.26 -5.20 -0.05 0.00 0.04 0.00 0.00 34.50 29.03 1qa9 s PRO 22 CO 0.32 -3.75 2.22 -0.51 0.04 0.00 0.00 177.00 175.33 1qa9 s LEU 23 N 10.49 3.43 -0.88 -3.56 1.43 -1.25 -4.84 118.68 123.49 1qa9 s LEU 23 Ca 0.68 1.78 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1qa9 s LEU 23 Cb -0.02 -3.41 0.27 0.00 0.03 0.00 0.00 46.19 43.05 1qa9 s LEU 23 CO 0.09 -2.05 2.14 0.29 0.23 0.00 0.00 176.35 177.05 1qa9 n LYS 24 N 8.78 3.66 0.00 1.70 4.76 -1.26 -4.66 118.16 131.15 1qa9 n LYS 24 Ca 0.30 -3.64 0.00 0.00 -2.87 0.00 0.00 58.31 52.10 1qa9 n LYS 24 Cb 0.46 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 1qa9 n LYS 24 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1qa9 n GLU 25 N 0.08 0.00 -3.86 1.97 2.13 -1.26 -4.41 120.64 115.29 1qa9 n GLU 25 Ca 0.52 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.24 1qa9 n GLU 25 Cb 0.30 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.92 1qa9 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1qa9 s VAL 26 N 0.00 0.12 -0.08 6.31 1.01 -1.11 -4.19 120.40 122.47 1qa9 s VAL 26 Ca 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1qa9 s VAL 26 Cb 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.38 1qa9 s VAL 26 CO 0.00 -0.56 0.16 -0.22 0.00 0.00 0.00 175.10 174.48 1qa9 s LEU 27 N -2.33 0.02 -0.14 3.92 2.96 -0.92 0.39 118.68 122.59 1qa9 s LEU 27 Ca -0.02 0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 54.13 1qa9 s LEU 27 Cb 0.01 0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.94 1qa9 s LEU 27 CO -0.06 -0.23 0.19 0.26 -1.32 0.00 0.00 176.35 175.18 1qa9 s TRP 28 N 2.16 3.54 0.01 5.38 0.52 0.14 -1.78 118.94 128.90 1qa9 s TRP 28 Ca 0.02 0.53 0.05 0.00 0.02 0.00 0.00 56.10 56.71 1qa9 s TRP 28 Cb -0.12 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.09 1qa9 s TRP 28 CO -0.06 0.53 -0.15 0.15 0.02 0.00 0.00 176.95 177.44 1qa9 s LYS 29 N -0.42 1.17 -0.95 4.98 1.02 0.14 0.23 119.74 125.91 1qa9 s LYS 29 Ca 0.14 -0.64 -0.02 0.00 0.02 0.00 0.00 55.97 55.48 1qa9 s LYS 29 Cb -0.12 -1.16 0.28 0.00 -0.52 0.00 0.00 37.83 36.30 1qa9 s LYS 29 CO 0.03 0.31 1.15 1.17 -0.92 0.00 0.00 175.35 177.09 1qa9 n LYS 30 N 2.42 3.61 0.00 1.68 4.81 0.47 -0.78 118.16 130.37 1qa9 n LYS 30 Ca -0.16 -4.56 0.00 0.00 -0.87 0.00 0.00 58.31 52.72 1qa9 n LYS 30 Cb 0.55 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.16 1qa9 n LYS 30 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1qa9 n GLN 31 N 1.53 0.00 0.20 1.64 6.02 -0.53 -3.63 117.38 122.60 1qa9 n GLN 31 Ca 0.26 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.39 1qa9 n GLN 31 Cb 0.36 0.00 0.73 0.00 1.02 0.00 0.00 30.24 32.35 1qa9 n GLN 31 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1qa9 h LYS 32 N 0.00 0.00 -6.23 -1.09 1.79 -1.93 -3.44 116.57 105.67 1qa9 h LYS 32 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1qa9 h LYS 32 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1qa9 h LYS 32 CO 0.00 0.00 -0.34 -0.51 -1.08 0.00 0.00 179.45 177.52 1qa9 s ASP 33 N -6.49 6.37 0.62 0.86 1.01 -1.24 -5.10 116.67 112.70 1qa9 s ASP 33 Ca -0.05 0.36 -0.12 0.00 0.71 0.00 0.00 52.55 53.45 1qa9 s ASP 33 Cb 0.17 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 1qa9 s ASP 33 CO 0.64 -0.06 1.03 -0.54 0.21 0.00 0.00 175.17 176.45 1qa9 s LYS 34 N -3.46 3.54 0.12 8.23 1.02 -1.26 -0.40 119.74 127.53 1qa9 s LYS 34 Ca 0.38 0.82 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1qa9 s LYS 34 Cb -0.11 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1qa9 s LYS 34 CO 0.30 -0.61 0.00 0.28 -0.92 0.00 0.00 175.35 174.39 1qa9 n VAL 35 N -2.62 1.04 -3.74 3.17 0.31 0.14 -4.63 118.33 111.99 1qa9 n VAL 35 Ca 0.06 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.60 1qa9 n VAL 35 Cb 0.54 -1.42 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 1qa9 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qa9 s ALA 36 N -2.00 -0.87 0.11 3.52 0.00 -1.17 -0.70 121.76 120.64 1qa9 s ALA 36 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1qa9 s ALA 36 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1qa9 s ALA 36 CO 0.00 -0.24 0.09 -1.83 0.00 0.00 0.00 175.76 173.78 1qa9 s GLU 37 N -0.89 0.87 -0.28 0.00 -1.05 -0.82 0.26 118.70 116.79 1qa9 s GLU 37 Ca -0.10 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 1qa9 s GLU 37 Cb -0.04 0.27 0.08 0.00 -0.44 0.00 0.00 34.13 34.00 1qa9 s GLU 37 CO 0.03 -0.25 0.04 -1.17 0.95 0.00 0.00 175.26 174.87 1qa9 s LEU 38 N -2.98 2.59 -0.22 1.83 2.96 0.16 -2.40 118.68 120.63 1qa9 s LEU 38 Ca 0.16 -1.50 0.01 0.00 -0.22 0.00 0.00 54.13 52.57 1qa9 s LEU 38 Cb 0.07 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.76 1qa9 s LEU 38 CO -0.03 -0.35 -0.14 -1.83 -1.32 0.00 0.00 176.35 172.68 1qa9 s GLU 39 N 1.48 2.75 -0.91 1.98 -1.05 -1.25 -2.75 118.70 118.95 1qa9 s GLU 39 Ca 0.05 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 1qa9 s GLU 39 Cb -0.18 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.74 1qa9 s GLU 39 CO -0.15 -0.36 0.00 -1.71 0.95 0.00 0.00 175.26 173.99 1qa9 n ASN 40 N 4.58 -2.33 -1.08 0.83 4.05 -1.26 -1.97 115.26 118.07 1qa9 n ASN 40 Ca -0.18 0.21 0.00 0.00 0.45 0.00 0.00 54.58 55.06 1qa9 n ASN 40 Cb 0.47 -2.32 0.00 0.00 1.23 0.00 0.00 39.78 39.16 1qa9 n ASN 40 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1qa9 n SER 41 N 0.04 -1.44 -2.81 1.20 2.88 -1.26 -5.09 113.62 107.14 1qa9 n SER 41 Ca -0.09 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.43 1qa9 n SER 41 Cb 0.29 -0.72 0.01 0.00 -0.75 0.00 0.00 64.21 63.04 1qa9 n SER 41 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1qa9 s GLU 42 N -1.77 0.75 0.72 -1.46 2.12 -0.83 -5.15 118.70 113.07 1qa9 s GLU 42 Ca 0.00 -0.64 -0.16 0.00 0.36 0.00 0.00 54.97 54.53 1qa9 s GLU 42 Cb 0.00 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.33 1qa9 s GLU 42 CO 0.00 -0.95 0.47 0.34 -0.54 0.00 0.00 175.26 174.58 1qa9 n PHE 43 N 3.15 -0.99 -3.15 5.30 -0.00 -1.26 -3.87 117.46 116.64 1qa9 n PHE 43 Ca 0.14 0.35 0.05 0.00 -0.00 0.00 0.00 57.45 57.99 1qa9 n PHE 43 Cb 0.59 -1.89 -0.01 0.00 -0.00 0.00 0.00 39.48 38.16 1qa9 n PHE 43 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1qa9 s ARG 44 N -2.65 0.42 0.04 -4.13 3.52 -1.01 -5.00 118.95 110.14 1qa9 s ARG 44 Ca 0.65 0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 56.90 1qa9 s ARG 44 Cb -0.35 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.39 1qa9 s ARG 44 CO 0.59 -0.46 0.34 0.00 -0.81 0.00 0.00 175.30 174.96 1qa9 s ALA 45 N 2.90 3.78 0.15 6.12 0.00 -1.26 -1.94 121.76 131.50 1qa9 s ALA 45 Ca 0.12 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.69 1qa9 s ALA 45 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1qa9 s ALA 45 CO -0.17 0.60 -0.04 -0.06 0.00 0.00 0.00 175.76 176.09 1qa9 s PHE 46 N -1.32 2.81 0.00 0.00 0.40 0.12 -4.69 117.98 115.30 1qa9 s PHE 46 Ca 0.30 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 1qa9 s PHE 46 Cb -0.14 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 41.99 1qa9 s PHE 46 CO 0.17 0.49 0.00 0.43 0.70 0.00 0.00 175.22 177.01 1qa9 n SER 47 N 0.20 0.00 -0.33 1.36 7.64 -1.26 -1.56 113.62 119.67 1qa9 n SER 47 Ca -0.11 0.00 0.25 0.00 1.01 0.00 0.00 58.87 60.02 1qa9 n SER 47 Cb 0.54 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 64.22 1qa9 n SER 47 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1qa9 h SER 48 N 0.00 0.39 0.00 6.43 0.87 -1.98 -1.06 113.55 118.20 1qa9 h SER 48 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1qa9 h SER 48 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1qa9 h SER 48 CO 0.00 -0.22 0.00 0.49 -0.53 0.00 0.00 176.83 176.57 1qa9 n PHE 49 N -5.14 0.00 -2.28 2.24 3.01 -0.60 -4.64 117.46 110.05 1qa9 n PHE 49 Ca 0.32 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.36 1qa9 n PHE 49 Cb 1.03 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.47 1qa9 n PHE 49 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1qa9 s LYS 50 N -2.00 4.40 0.00 -1.08 1.02 -0.40 -2.64 119.74 119.03 1qa9 s LYS 50 Ca 0.03 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1qa9 s LYS 50 Cb 0.01 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1qa9 s LYS 50 CO 0.02 -0.29 0.00 0.09 -0.92 0.00 0.00 175.35 174.26 1qa9 n ASN 51 N 3.38 0.00 -0.08 2.83 4.13 -1.26 -4.73 115.26 119.53 1qa9 n ASN 51 Ca 0.08 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.49 1qa9 n ASN 51 Cb 0.44 -0.57 0.74 0.00 -1.54 0.00 0.00 39.78 38.85 1qa9 n ASN 51 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1qa9 n ARG 52 N -1.68 0.80 -4.16 3.52 0.63 -1.08 -4.94 116.66 109.75 1qa9 n ARG 52 Ca 0.00 -0.17 -0.12 0.00 -0.92 0.00 0.00 57.85 56.64 1qa9 n ARG 52 Cb 0.00 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.33 1qa9 n ARG 52 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1qa9 s VAL 53 N -2.31 0.00 -0.08 5.15 -7.23 -1.23 0.55 120.40 115.25 1qa9 s VAL 53 Ca 0.35 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1qa9 s VAL 53 Cb 0.21 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.75 1qa9 s VAL 53 CO 0.43 0.00 0.17 -0.47 -0.31 0.00 0.00 175.10 174.92 1qa9 s TYR 54 N -4.08 -0.21 -0.22 2.82 5.04 0.10 -4.98 117.35 115.83 1qa9 s TYR 54 Ca 0.36 0.59 -0.05 0.00 -2.44 0.00 0.00 57.07 55.52 1qa9 s TYR 54 Cb 0.05 -0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.25 1qa9 s TYR 54 CO 0.12 -0.21 0.00 -1.17 -1.34 0.00 0.00 175.55 172.95 1qa9 s LEU 55 N 1.46 3.19 -0.33 6.97 2.96 -1.26 -0.36 118.68 131.31 1qa9 s LEU 55 Ca -0.06 -0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.31 1qa9 s LEU 55 Cb -0.11 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 1qa9 s LEU 55 CO -0.07 0.02 1.70 -0.62 -1.32 0.00 0.00 176.35 176.06 1qa9 s ASP 56 N 1.25 6.04 0.00 3.68 3.68 0.64 -4.86 116.67 127.10 1qa9 s ASP 56 Ca 0.04 1.24 0.00 0.00 2.13 0.00 0.00 52.55 55.96 1qa9 s ASP 56 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 1qa9 s ASP 56 CO 0.01 -1.60 0.25 0.35 0.13 0.00 0.00 175.17 174.31 1qa9 n THR 57 N 7.25 0.01 0.07 1.71 -2.24 -1.26 -1.70 114.28 118.12 1qa9 n THR 57 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1qa9 n THR 57 Cb 0.47 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1qa9 n THR 57 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qa9 n LYS 58 N 0.26 0.00 -1.07 -0.78 5.02 -1.26 -4.83 118.16 115.51 1qa9 n LYS 58 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1qa9 n LYS 58 Cb 0.12 -0.09 0.27 0.00 -0.02 0.00 0.00 35.03 35.31 1qa9 n LYS 58 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qa9 n SER 59 N -3.07 4.44 -2.13 4.39 7.64 -1.23 -3.94 113.62 119.72 1qa9 n SER 59 Ca 0.00 -3.35 -0.02 0.00 1.01 0.00 0.00 58.87 56.50 1qa9 n SER 59 Cb 0.04 -0.77 -0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1qa9 n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qa9 n GLY 60 N -0.48 -0.37 3.84 0.23 0.00 -0.69 -4.12 105.19 103.61 1qa9 n GLY 60 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 1qa9 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qa9 s SER 61 N -1.58 6.85 0.05 1.61 0.01 -1.25 -4.72 113.70 114.67 1qa9 s SER 61 Ca 0.05 1.45 0.07 0.00 1.31 0.00 0.00 55.95 58.82 1qa9 s SER 61 Cb -0.03 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1qa9 s SER 61 CO 0.06 -0.26 -0.15 -0.22 0.41 0.00 0.00 173.24 173.07 1qa9 s LEU 62 N -3.04 2.78 -0.10 2.44 2.96 -0.90 -0.26 118.68 122.55 1qa9 s LEU 62 Ca 0.57 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1qa9 s LEU 62 Cb -0.10 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 45.01 1qa9 s LEU 62 CO 0.16 0.24 0.00 -0.89 -1.32 0.00 0.00 176.35 174.54 1qa9 s THR 63 N -1.00 0.46 -0.02 3.68 2.01 0.52 0.12 115.64 121.41 1qa9 s THR 63 Ca 0.16 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 1qa9 s THR 63 Cb -0.11 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1qa9 s THR 63 CO 0.07 0.18 0.11 -0.63 -0.69 0.00 0.00 174.62 173.66 1qa9 s ILE 64 N 1.93 4.99 0.17 1.82 1.01 -0.75 0.03 121.20 130.40 1qa9 s ILE 64 Ca 0.04 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.53 1qa9 s ILE 64 Cb -0.13 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1qa9 s ILE 64 CO -0.06 0.39 -0.17 -0.31 0.00 0.00 0.00 174.94 174.79 1qa9 s TYR 65 N -1.19 2.49 -0.55 3.97 1.51 0.19 -1.72 117.35 122.05 1qa9 s TYR 65 Ca 0.23 -0.28 -0.16 0.00 -1.01 0.00 0.00 57.07 55.85 1qa9 s TYR 65 Cb -0.12 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1qa9 s TYR 65 CO 0.13 0.48 0.64 -1.71 -1.11 0.00 0.00 175.55 173.98 1qa9 n ASN 66 N 0.30 -7.02 -4.76 2.29 5.15 0.81 -4.89 115.26 107.14 1qa9 n ASN 66 Ca -0.13 0.07 -0.38 0.00 -0.60 0.00 0.00 54.58 53.55 1qa9 n ASN 66 Cb 0.55 -4.11 0.01 0.00 -0.53 0.00 0.00 39.78 35.70 1qa9 n ASN 66 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qa9 s LEU 67 N -3.15 3.95 -0.06 1.20 1.43 0.92 -4.76 118.68 118.21 1qa9 s LEU 67 Ca 0.20 2.51 0.09 0.00 -1.03 0.00 0.00 54.13 55.90 1qa9 s LEU 67 Cb -0.04 -4.24 0.14 0.00 0.03 0.00 0.00 46.19 42.08 1qa9 s LEU 67 CO 0.80 -1.19 1.03 0.35 0.23 0.00 0.00 176.35 177.58 1qa9 n THR 68 N -0.68 1.15 0.00 5.49 -2.24 -1.26 -1.31 114.28 115.43 1qa9 n THR 68 Ca 0.08 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1qa9 n THR 68 Cb 0.47 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1qa9 n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qa9 n SER 69 N -0.82 0.00 -0.24 3.42 7.64 -1.26 -4.52 113.62 117.84 1qa9 n SER 69 Ca 0.08 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.08 1qa9 n SER 69 Cb 0.55 -0.06 0.61 0.00 -1.01 0.00 0.00 64.21 64.30 1qa9 n SER 69 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1qa9 n SER 70 N 0.40 0.73 0.00 6.43 2.88 -1.26 -3.11 113.62 119.69 1qa9 n SER 70 Ca 0.00 -1.39 0.10 0.00 -1.33 0.00 0.00 58.87 56.25 1qa9 n SER 70 Cb 0.00 -0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 63.33 1qa9 n SER 70 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1qa9 n ASP 71 N -0.37 0.71 -4.55 -3.46 9.92 -1.26 -4.84 116.55 112.70 1qa9 n ASP 71 Ca 0.18 -0.66 -0.32 0.00 -0.53 0.00 0.00 54.79 53.47 1qa9 n ASP 71 Cb 0.21 1.18 -0.04 0.00 -0.64 0.00 0.00 41.12 41.83 1qa9 n ASP 71 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1qa9 s GLU 72 N -3.14 2.25 0.00 -1.24 2.12 -1.18 -4.79 118.70 112.72 1qa9 s GLU 72 Ca 0.04 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1qa9 s GLU 72 Cb 0.15 -4.62 0.00 0.00 0.26 0.00 0.00 34.13 29.92 1qa9 s GLU 72 CO 0.87 -3.31 0.00 -3.47 -0.54 0.00 0.00 175.26 168.81 1qa9 n ASP 73 N 15.05 0.00 -4.46 -1.70 4.64 -1.08 -4.93 116.55 124.06 1qa9 n ASP 73 Ca 0.33 -0.16 -0.36 0.00 -1.38 0.00 0.00 54.79 53.22 1qa9 n ASP 73 Cb 0.51 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 40.47 1qa9 n ASP 73 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1qa9 s GLU 74 N 0.53 3.69 0.06 -0.67 2.12 -1.26 -1.45 118.70 121.73 1qa9 s GLU 74 Ca 0.00 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 54.92 1qa9 s GLU 74 Cb 0.00 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1qa9 s GLU 74 CO 0.00 -0.16 -0.07 0.71 -0.54 0.00 0.00 175.26 175.20 1qa9 s TYR 75 N 1.55 2.84 -0.08 5.30 2.02 0.24 -1.46 117.35 127.76 1qa9 s TYR 75 Ca 0.06 -0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.52 1qa9 s TYR 75 Cb -0.15 -1.52 0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1qa9 s TYR 75 CO 0.04 0.41 0.36 -2.00 -1.57 0.00 0.00 175.55 172.79 1qa9 s GLU 76 N -1.93 0.57 0.16 -0.62 2.12 0.04 0.39 118.70 119.44 1qa9 s GLU 76 Ca 0.21 0.19 0.08 0.00 0.36 0.00 0.00 54.97 55.81 1qa9 s GLU 76 Cb -0.11 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1qa9 s GLU 76 CO 0.12 -0.12 -0.17 0.00 -0.54 0.00 0.00 175.26 174.55 1qa9 s MET 77 N -0.54 1.24 0.08 4.30 0.23 -0.68 0.26 119.30 124.18 1qa9 s MET 77 Ca -0.07 -1.39 0.01 0.00 -1.03 0.00 0.00 55.69 53.22 1qa9 s MET 77 Cb -0.04 -1.25 -0.04 0.00 -1.53 0.00 0.00 34.83 31.97 1qa9 s MET 77 CO 0.03 0.25 -0.06 -1.21 -2.03 0.00 0.00 175.02 171.99 1qa9 s GLU 78 N -2.83 0.74 -0.25 3.16 2.02 -0.74 -3.57 118.70 117.24 1qa9 s GLU 78 Ca 0.15 -1.21 -0.26 0.00 0.02 0.00 0.00 54.97 53.67 1qa9 s GLU 78 Cb -0.05 -0.16 0.13 0.00 0.10 0.00 0.00 34.13 34.15 1qa9 s GLU 78 CO 0.06 -0.02 1.06 0.45 0.02 0.00 0.00 175.26 176.83 1qa9 s SER 79 N -2.75 -0.39 0.12 -0.19 0.15 -1.26 -2.15 113.70 107.22 1qa9 s SER 79 Ca 0.07 0.67 -0.16 0.00 0.70 0.00 0.00 55.95 57.24 1qa9 s SER 79 Cb 0.03 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1qa9 s SER 79 CO -0.04 -0.19 1.61 -0.65 1.20 0.00 0.00 173.24 175.17 1qa9 h PRO 80 N 3.65 0.63 -2.11 5.44 0.11 -2.01 -2.83 132.00 134.88 1qa9 h PRO 80 Ca -0.25 -0.16 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 1qa9 h PRO 80 Cb 1.17 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1qa9 h PRO 80 CO 0.17 0.68 -0.22 0.09 -0.21 0.00 0.00 178.00 178.51 1qa9 n ASN 81 N -4.55 4.56 -3.64 -2.05 3.02 -1.26 -4.80 115.26 106.53 1qa9 n ASN 81 Ca -0.01 -2.32 -0.21 0.00 -0.03 0.00 0.00 54.58 52.01 1qa9 n ASN 81 Cb 0.22 -1.18 0.13 0.00 -0.61 0.00 0.00 39.78 38.35 1qa9 n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qa9 n ILE 82 N 2.36 0.00 -2.69 2.41 3.06 -1.07 -4.99 119.36 118.44 1qa9 n ILE 82 Ca 0.30 -0.92 -0.05 0.00 -2.50 0.00 0.00 62.75 59.57 1qa9 n ILE 82 Cb 0.72 -1.40 0.08 0.00 0.54 0.00 0.00 39.64 39.58 1qa9 n ILE 82 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1qa9 n THR 83 N -3.10 0.00 -1.91 9.51 -2.24 -1.26 -5.11 114.28 110.17 1qa9 n THR 83 Ca 0.13 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1qa9 n THR 83 Cb 0.45 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1qa9 n THR 83 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qa9 n ASP 84 N 1.13 -5.51 -0.27 3.42 8.00 -1.26 -4.97 116.55 117.09 1qa9 n ASP 84 Ca 0.01 1.29 -0.02 0.00 0.71 0.00 0.00 54.79 56.78 1qa9 n ASP 84 Cb 0.70 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 1qa9 n ASP 84 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qa9 n SER 85 N 1.81 -0.36 -4.04 -2.24 2.88 -1.26 -5.03 113.62 105.38 1qa9 n SER 85 Ca 0.00 0.02 -0.29 0.00 -1.33 0.00 0.00 58.87 57.27 1qa9 n SER 85 Cb 0.00 -0.05 -0.17 0.00 -0.75 0.00 0.00 64.21 63.24 1qa9 n SER 85 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1qa9 s MET 86 N -0.12 2.27 -0.28 -1.46 1.75 -1.23 -5.03 119.30 115.20 1qa9 s MET 86 Ca 0.03 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 1qa9 s MET 86 Cb -0.02 -2.01 0.06 0.00 2.84 0.00 0.00 34.83 35.71 1qa9 s MET 86 CO 0.05 -0.15 -0.07 0.15 -0.65 0.00 0.00 175.02 174.36 1qa9 s LYS 87 N 1.23 2.16 0.04 4.11 1.02 -1.26 -1.69 119.74 125.36 1qa9 s LYS 87 Ca -0.01 -1.42 -0.03 0.00 0.02 0.00 0.00 55.97 54.54 1qa9 s LYS 87 Cb -0.14 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1qa9 s LYS 87 CO -0.06 -0.63 0.24 -0.06 -0.92 0.00 0.00 175.35 173.91 1qa9 s PHE 88 N 1.10 3.53 -0.24 3.18 0.40 0.16 -2.35 117.98 123.76 1qa9 s PHE 88 Ca -0.06 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1qa9 s PHE 88 Cb -0.20 -1.86 0.05 0.00 0.51 0.00 0.00 43.02 41.53 1qa9 s PHE 88 CO -0.05 0.59 -0.11 0.12 0.70 0.00 0.00 175.22 176.47 1qa9 s PHE 89 N -1.43 3.00 -0.07 0.36 5.99 -0.18 0.83 117.98 126.48 1qa9 s PHE 89 Ca 0.32 -2.09 -0.22 0.00 0.00 0.00 0.00 56.93 54.94 1qa9 s PHE 89 Cb -0.13 -1.85 -0.04 0.00 0.00 0.00 0.00 43.02 41.00 1qa9 s PHE 89 CO 0.22 -0.84 0.64 -1.17 -0.00 0.00 0.00 175.22 174.07 1qa9 s LEU 90 N 1.20 4.32 -0.56 6.12 2.96 -0.53 -0.59 118.68 131.60 1qa9 s LEU 90 Ca -0.06 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 1qa9 s LEU 90 Cb -0.19 -2.97 0.14 0.00 0.50 0.00 0.00 46.19 43.67 1qa9 s LEU 90 CO -0.06 -0.06 0.33 -0.31 -1.32 0.00 0.00 176.35 174.93 1qa9 s TYR 91 N 0.63 3.29 -0.73 5.38 2.02 0.11 -2.64 117.35 125.41 1qa9 s TYR 91 Ca 0.34 -2.99 -0.25 0.00 -0.37 0.00 0.00 57.07 53.81 1qa9 s TYR 91 Cb -0.17 -2.98 -0.15 0.00 -0.40 0.00 0.00 41.96 38.26 1qa9 s TYR 91 CO 0.16 -0.79 2.42 0.28 -1.57 0.00 0.00 175.55 176.06 1qa9 n VAL 92 N 3.28 -0.04 -0.53 0.71 0.31 -1.26 -1.59 118.33 119.21 1qa9 n VAL 92 Ca 0.06 -0.56 -0.27 0.00 -0.01 0.00 0.00 64.34 63.56 1qa9 n VAL 92 Cb 0.35 -1.88 0.20 0.00 -0.91 0.00 0.00 33.84 31.59 1qa9 n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qa9 n GLY 93 N 6.30 -2.68 0.00 2.92 0.00 0.56 -4.80 105.19 107.49 1qa9 n GLY 93 Ca 0.48 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1qa9 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qa9 n GLU 94 N -2.94 0.00 0.00 1.61 -0.58 -1.26 -3.36 120.64 114.11 1qa9 n GLU 94 Ca 0.04 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1qa9 n GLU 94 Cb 0.53 0.00 0.46 0.00 -0.57 0.00 0.00 31.44 31.86 1qa9 n GLU 94 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52